612483-90-6
Product Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-(5-isoquinolinylsulfonyl)-, 1,1-dimethylethyl ester
Formula:
C19H25N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.5 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 391.15657746 g/mol |
| Monoisotopic Mass | 391.15657746 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 626 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |